Information card for entry 1571605

Structure parameters

• Formula: C15 H10 Cl F3 N2 O2
• Calculated formula: C15 H10 Cl F3 N2 O2
• Title of publication: Trimodal operation of a robust smart organic crystal.
• Authors of publication: Wu, Wenbo; Chen, Kui; Yu, Hui; Zhu, Jiaxuan; Feng, Yaoguang; Wang, Jingkang; Huang, Xin; Li, Liang; Hao, Hongxun; Wang, Ting; Wang, Na; Naumov, Panče
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 24
• Pages of publication: 9287 - 9297
• a: 18.6718 ± 0.0016 Å
• b: 10.1775 ± 0.001 Å
• c: 8.0982 ± 0.0008 Å
• α: 90°
• β: 92.583 ± 0.003°
• γ: 90°
• Cell volume: 1537.4 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No